⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Bromide SCHEMBL7347333 | 0.77 | ELANE (0.40) | — | |
| SCHEMBL7337625 | 0.73 | — | — | |
| SCHEMBL7340132 | 0.71 | ACE (0.32) | — | |
| SCHEMBL7342749 | 0.70 | CTSK (0.33) | — | |
| SCHEMBL7366551 | 0.69 | OPRM1 (0.32) | — | |
| SCHEMBL7338482 | 0.69 | — | — | |
| SCHEMBL11228481 | 0.67 | MAPT (0.32) | — | |
| SCHEMBL7380300 | 0.66 | ELANE (0.31) | — | |
| SCHEMBL7341086 | 0.63 | — | — | |
| SCHEMBL7380895 | 0.62 | KMT2A (0.39) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4316906-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1982-02-23 | — | — | US | disclosed |